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	hartrees
Energy at 0K	-1806.555544
Energy at 298.15K	-1806.560383
HF Energy	-1806.555544
Nuclear repulsion energy	801.476102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	738	730	0.00
2	A₁	570	564	0.00
3	A₁	217	215	0.00
4	A₂	771	763	0.00
5	A₂	258	256	0.00
6	B₁	752	744	0.00
7	B₁	336	332	0.00
8	B₂	974	963	60.73
9	B₂	555	549	58.06
10	B₂	190	188	0.27
11	E	821	812	2.28
11	E	821	812	2.28
12	E	727	719	89.47
12	E	727	719	89.47
13	E	515	509	6.99
13	E	515	509	6.99
14	E	334	330	15.62
14	E	334	330	15.62

Atom	x (Å)	y (Å)	z (Å)
N1	1.292	1.292	0.000
N2	-1.292	1.292	0.000
N3	-1.292	-1.292	0.000
N4	1.292	-1.292	0.000
S5	0.000	1.331	0.981
S6	0.000	-1.331	0.981
S7	1.331	0.000	-0.981
S8	-1.331	0.000	-0.981

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5841	3.6545	2.5841	1.6225	3.0838	1.6225	3.0838
N2	2.5841		2.5841	3.6545	1.6225	3.0838	3.0838	1.6225
N3	3.6545	2.5841		2.5841	3.0838	1.6225	3.0838	1.6225
N4	2.5841	3.6545	2.5841		3.0838	1.6225	1.6225	3.0838
S5	1.6225	1.6225	3.0838	3.0838		2.6614	2.7181	2.7181
S6	3.0838	3.0838	1.6225	1.6225	2.6614		2.7181	2.7181
S7	1.6225	3.0838	3.0838	1.6225	2.7181	2.7181		2.6614
S8	3.0838	1.6225	1.6225	3.0838	2.7181	2.7181	2.6614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	105.565	N1	S7	N4	105.565
N2	S8	N3	105.565	N3	S6	N4	105.565
S5	N1	S7	113.779	S5	N2	S8	113.779
S6	N3	S8	113.779	S6	N4	S7	113.779

All results from a given calculation for S₄N₄ (Tetrasulfur tetranitride)

using model chemistry: LSDA/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-0.352
2	N	-0.352
3	N	-0.352
4	N	-0.352
5	S	0.352
6	S	0.352
7	S	0.352
8	S	0.352

<r²>	314.065
(<r²>)^1/2	17.722

All results from a given calculation for S4N4 (Tetrasulfur tetranitride)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for S₄N₄ (Tetrasulfur tetranitride)